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Information card for entry 1550583
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| Coordinates | 1550583.cif |
|---|---|
| Structure factors | 1550583.hkl |
| Original IUCr paper | HTML |
| Common name | Potassium bis(2-methyllactato)borate hemihydrate |
|---|---|
| Chemical name | Poly[aquabis[μ~3~-bis(2-methyllactato)borato]dipotassium] [K(C~8~H~12~BO~6~)(H~2~O)~0.5~] |
| Formula | C8 H13 B K O6.5 |
| Calculated formula | C8 H13 B K O6.5 |
| Title of publication | Potassium bis(2-methyllactato)borate hemihydrate |
| Authors of publication | Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | x190202 |
| a | 12.3919 ± 0.0007 Å |
| b | 10.7917 ± 0.0006 Å |
| c | 19.9794 ± 0.0012 Å |
| α | 90° |
| β | 103.138 ± 0.002° |
| γ | 90° |
| Cell volume | 2601.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213583 (current) | 2019-02-09 | cif/ hkl/ Adding structures of 1550583 via cif-deposit CGI script. |
1550583.cif 1550583.hkl |
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Users of the data should acknowledge the original authors of the
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